N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C20H17N3O2S3 — CID 46514689

IUPACN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCSc1ccc(-c2csc(NC(=O)Cc3nc(-c4cccs4)oc3C)n2)cc1
InChIInChI=1S/C20H17N3O2S3/c1-12-15(21-19(25-12)17-4-3-9-27-17)10-18(24)23-20-22-16(11-28-20)13-5-7-14(26-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyXVAREFQOOPGSID-UHFFFAOYSA-N
MW427.58 g/mol
LogP5.74
Rot. Bonds6

About N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 46514689) has the molecular formula C20H17N3O2S3 and a molecular weight of 427.58 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID46514689
Molecular FormulaC20H17N3O2S3
Molecular Weight427.58 g/mol
Exact Mass427.05
IUPAC NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCSc1ccc(-c2csc(NC(=O)Cc3nc(-c4cccs4)oc3C)n2)cc1
InChIInChI=1S/C20H17N3O2S3/c1-12-15(21-19(25-12)17-4-3-9-27-17)10-18(24)23-20-22-16(11-28-20)13-5-7-14(26-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyXVAREFQOOPGSID-UHFFFAOYSA-N
XLogP5.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621496
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514539
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
methyl 4-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 134046092
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38783584
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627491
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
N-(4-chloro-2-fluorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31938329
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
2-(4-methylsulfanylphenyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 41126327

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 46514689) is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is CSc1ccc(-c2csc(NC(=O)Cc3nc(-c4cccs4)oc3C)n2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is XVAREFQOOPGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S3/c1-12-15(21-19(25-12)17-4-3-9-27-17)10-18(24)23-20-22-16(11-28-20)13-5-7-14(26-2)8-6-13/h3-9,11H,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 427.58 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 46514689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).